Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | THPO | P40225 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | EGLN1 | Q9GZT9 | 2/20 | 0.44 |
| ▸ | MGLL | Q99685 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 8/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | DDB1 | Q16531 | 1/20 | 0.34 |
| ▸ | CRBN | Q96SW2 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8290956 | 0.85 | ALDH1A1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL8300337 | 0.84 | MAPK1 (0.67) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10576879 | 0.72 | ALDH1A1 (0.70) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8874688 | 0.72 | SCN9A (0.41) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL10577590 | 0.69 | CYP1A2 (0.80) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| Linopirdine SCHEMBL122699 | 0.66 | ALDH1A1 (1.00) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9304013 | 0.66 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL9282773 | 0.65 | TXNRD1 (0.38) | ALDH1A1L3MBTL1SCN9AMEN1PKM | |
| Linopirdine SCHEMBL360113 | 0.65 | MAPK1 (0.97) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8295620 | 0.63 | ALDH1A1 (0.74) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0241006-A2 | 3,3-Disubstituted indolines | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1987-10-14 | — | — | EP | disclosed |